4-N-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine

C11H10F3N5 — CID 90189543

IUPAC4-N-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine
SMILESCNc1cc(-c2cccnc2C(F)(F)F)nc(N)n1
InChIInChI=1S/C11H10F3N5/c1-16-8-5-7(18-10(15)19-8)6-3-2-4-17-9(6)11(12,13)14/h2-5H,1H3,(H3,15,16,18,19)
InChIKeyYUKVJLCCJWAJOU-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.18
Rot. Bonds2

About 4-N-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine

4-N-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine (PubChem CID 90189543) has the molecular formula C11H10F3N5 and a molecular weight of 269.23 g/mol. Its IUPAC name is 4-N-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine
PubChem CID90189543
Molecular FormulaC11H10F3N5
Molecular Weight269.23 g/mol
Exact Mass269.09
IUPAC Name4-N-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine
SMILESCNc1cc(-c2cccnc2C(F)(F)F)nc(N)n1
InChIInChI=1S/C11H10F3N5/c1-16-8-5-7(18-10(15)19-8)6-3-2-4-17-9(6)11(12,13)14/h2-5H,1H3,(H3,15,16,18,19)
InChIKeyYUKVJLCCJWAJOU-UHFFFAOYSA-N
XLogP2.18
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine (CID 90189543) is 4-N-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine is CNc1cc(-c2cccnc2C(F)(F)F)nc(N)n1.
What is the InChIKey of 4-N-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine?
The InChIKey is YUKVJLCCJWAJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5/c1-16-8-5-7(18-10(15)19-8)6-3-2-4-17-9(6)11(12,13)14/h2-5H,1H3,(H3,15,16,18,19).
What are the key properties of 4-N-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine?
4-N-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine has a molecular weight of 269.23 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 90189543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).